For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Isonipecotic acid, N-(octanoyl)-, undecyl ester
SpectraBase Compound ID LMtmu13hwZk
InChI InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-14-16-22-29-25(28)23-18-20-26(21-19-23)24(27)17-15-13-8-6-4-2/h23H,3-22H2,1-2H3
InChIKey YZEISMRKDDHYHJ-UHFFFAOYSA-N
Mol Weight 409.7 g/mol
Molecular Formula C25H47NO3
Exact Mass 409.355594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5HePCT9K3dD
Name Isonipecotic acid, N-(octanoyl)-, undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.355594374 u
Formula C25H47NO3
InChI InChI=1S/C25H47NO3/c1-3-5-7-9-10-11-12-14-16-22-29-25(28)23-18-20-26(21-19-23)24(27)17-15-13-8-6-4-2/h23H,3-22H2,1-2H3
InChIKey YZEISMRKDDHYHJ-UHFFFAOYSA-N
Molecular Weight 409.655 g/mol
SMILES C(CCCCCC(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O)C